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samaderine X

Go to external page http://purl.obolibrary.org/obo/CHEBI_66162

A quassinoid isolated from Quassia indica and has been shown to exhibit antimalarial and cytotoxic activity.

Term info

Label

samaderine X

Synonyms
  • (1beta,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl acetate
database cross reference
Subsets

3_STAR

IUPAC NAME
(1beta,11beta,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl acetate [ IUPAC ]

charge

0

formula

C22H28O9

has obo namespace

chebi_ontology

id

CHEBI:66162

inchi

InChI=1S/C22H28O9/c1-8-5-11(24)17(26)20(3)10(8)6-12-22-7-29-21(4,18(27)13(25)15(20)22)16(22)14(19(28)31-12)30-9(2)23/h5,10,12-18,25-27H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16-,17+,18-,20-,21-,22+/m0/s1

inchikey

PLUUPKMBPOFNDA-JEFQDFFJSA-N

mass

436.45230

monoisotopicmass

436.17333

smiles

[H][C@@]12C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@@]4(C)OC[C@@]13[C@@]4([H])[C@@H](OC(C)=O)C(=O)O2